3-morpholin-4-ylsulfonyl-N-prop-2-enylbenzamide

C14H18N2O4S — CID 2711286

IUPAC3-morpholin-4-ylsulfonyl-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C14H18N2O4S/c1-2-6-15-14(17)12-4-3-5-13(11-12)21(18,19)16-7-9-20-10-8-16/h2-5,11H,1,6-10H2,(H,15,17)
InChIKeyZEMVQODHRSYRKV-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.62
Rot. Bonds5

About 3-morpholin-4-ylsulfonyl-N-prop-2-enylbenzamide

3-morpholin-4-ylsulfonyl-N-prop-2-enylbenzamide (PubChem CID 2711286) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is 3-morpholin-4-ylsulfonyl-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name3-morpholin-4-ylsulfonyl-N-prop-2-enylbenzamide
PubChem CID2711286
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Name3-morpholin-4-ylsulfonyl-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C14H18N2O4S/c1-2-6-15-14(17)12-4-3-5-13(11-12)21(18,19)16-7-9-20-10-8-16/h2-5,11H,1,6-10H2,(H,15,17)
InChIKeyZEMVQODHRSYRKV-UHFFFAOYSA-N
XLogP0.62
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(4-ethylpiperazin-1-yl)sulfonyl-N-prop-2-enylbenzamide
CID 109062420
2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid
CID 24691198
3-[4-(2-amino-2-oxoethyl)piperazin-1-yl]sulfonyl-N-prop-2-enylbenzamide
CID 51121166
N-[2-(dimethylamino)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 50945849
[2-oxo-2-(prop-2-enylamino)ethyl] (2S)-3-methyl-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]butanoate
CID 55925709
N-prop-2-enyl-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide
CID 55915923
3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)benzamide
CID 2963679
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 110424101
N-[(2R)-2-hydroxy-2-phenylethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 1256857
N-(4-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 1081958
3-morpholin-4-ylsulfonyl-N-(naphthalen-2-ylmethyl)benzamide
CID 94042950
3-morpholin-4-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide
CID 27770200

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylsulfonyl-N-prop-2-enylbenzamide?
The IUPAC name of 3-morpholin-4-ylsulfonyl-N-prop-2-enylbenzamide (CID 2711286) is 3-morpholin-4-ylsulfonyl-N-prop-2-enylbenzamide.
What is the SMILES notation for 3-morpholin-4-ylsulfonyl-N-prop-2-enylbenzamide?
The canonical SMILES for 3-morpholin-4-ylsulfonyl-N-prop-2-enylbenzamide is C=CCNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 3-morpholin-4-ylsulfonyl-N-prop-2-enylbenzamide?
The InChIKey is ZEMVQODHRSYRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-2-6-15-14(17)12-4-3-5-13(11-12)21(18,19)16-7-9-20-10-8-16/h2-5,11H,1,6-10H2,(H,15,17).
What are the key properties of 3-morpholin-4-ylsulfonyl-N-prop-2-enylbenzamide?
3-morpholin-4-ylsulfonyl-N-prop-2-enylbenzamide has a molecular weight of 310.38 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylsulfonyl-N-prop-2-enylbenzamide is sourced from PubChem (CID 2711286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).